(3S)-4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (3S)-4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoate CAS Name: (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate IUPAC Name: (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-keto-4-methoxy-butyrate Formula: C13H14NO6- MolecularWeight: 280.25336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO6/c1-19-12(17)10(7-11(15)16)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,16)/p-1/t10-/m0/s1